Results 111 to 120 of about 6,542,741 (296)

Halogenated Secondary Metabolites from Higher Plants: Potent Drug Candidates for Chikungunya Using in silico Approaches

open access: yesPolish Journal of Microbiology
Chikungunya virus (CHIKV) causes a debilitating fever and joint pain, with no specific antiviral treatment available. Halogenated secondary metabolites from plants are a promising new class of drug candidates against chikungunya, with unique properties ...
Kumar Sushil   +7 more
doaj   +1 more source

Phase Behaviour of Multicomponent Mixtures of Hydrocarbons: MD Simulation

open access: yesMethane
We perform a molecular dynamics simulation of a bulk eight-component hydrocarbon mixture that roughly represents a composition of hydrocarbon fluid in a volatile oil reservoir.
Alexander Sidorenkov, Viktor Ivanov
doaj   +1 more source

Ultrahigh‐Yield, Multifunctional, and High‐Performance Organic Memory for Seamless In‐Sensor Computing Operation

open access: yesAdvanced Functional Materials, EarlyView.
Molecular engineering of a nonconjugated radical polymer enables a significant enhancement of the glass transition temperature. The amorphous nature and tunability of the polymer, arising from its nonconjugated backbone, facilitates the fabrication of organic memristive devices with an exceptionally high yield (>95%), as well as substantial ...
Daeun Kim   +14 more
wiley   +1 more source

MDverse, shedding light on the dark matter of molecular dynamics simulations

open access: yeseLife
The rise of open science and the absence of a global dedicated data repository for molecular dynamics (MD) simulations has led to the accumulation of MD files in generalist data repositories, constituting the dark matter of MD — data that is technically ...
Johanna KS Tiemann   +11 more
doaj   +1 more source

Programmable DNA‐Peptide Hybrid Nanostructures for Potent Neutralization of Multiple Influenza a Virus Subtypes

open access: yesAdvanced Functional Materials, EarlyView.
A multivalent antiviral platform based on honeycomb‐shaped DNA nanostructures (HC–Urumin) is developed to enhance the potency and breadth of the host defense peptide Urumin. Through spatially patterned trimeric presentation, HC–Urumin disrupts influenza A virus entry, improves cell viability, and reduces disease severity in vivo‐offering a modular and ...
Saurabh Umrao   +11 more
wiley   +1 more source

Bimetallic Nanoreactor Activates cGAS‐STING Pathway via mtDNA Release for Cancer Metalloimmunotherapy

open access: yesAdvanced Functional Materials, EarlyView.
A bimetallic Mn–Ca nanoreactor (MCC) is developed as a non‐nucleotide STING nanoagonist for cancer metalloimmunotherapy. MCC induces Ca2+ overload and hydroxyl radical generation, resulting in mitochondrial damage and mtDNA release. The released mtDNA cooperates with Mn2+ to robustly activate cGAS–STING signaling.
Xin Wang Mo   +7 more
wiley   +1 more source

PEDOT‐Based Eutectogel Electrode Arrays for Enhanced High‐Resolution Electrogastrography: Fabrication, Stability, and Wearable Performance

open access: yesAdvanced Functional Materials, EarlyView.
Here, we present a high‐density PEDOT eutectogel electrode array for enhanced body surface gastric mapping. Silver electrodes are blade‐coated onto flexible substrates, followed by electrogelation of PEDOT:PSS and the deposition of a PEDOT:LS eutectogel.
Christopher Slaughter   +8 more
wiley   +1 more source

‘Oxygen Bound to Magnesium’ as High Voltage Redox Center Causes Sloping of the Potential Profile in Mg‐Doped Layered Oxides for Na‐Ion Batteries

open access: yesAdvanced Functional Materials, EarlyView.
Na‐ion batteries ‐ Impact of doping on the oxygen redox: The sloping potential of NaMg0.1Ni0.4Mn0.5O2 above 4.0 V is caused by a new redox center (arising from the ‘O bound to Mg’), having a higher potential but being more irreversible compared to the ‘O bound to Ni’.
Yongchun Li   +12 more
wiley   +1 more source

Tuning the Electronic Structure and Spin State of Fe─N─C Catalysts Using an Axial Oxygen Ligand and Fe Clusters for High‐Efficiency Rechargeable Zinc–Air Batteries

open access: yesAdvanced Functional Materials, EarlyView.
A FeN4─O/Clu@NC‐0.1Ac catalyst containing atomically‐dispersed FeN4─O sites (medium‐spin Fe2+) and Fe clusters delivered a half‐wave potential of 0.89 V for ORR and an overpotential of 330 mV at 10 mA cm−2 for OER in 0.1 m KOH. When the catalyst was used in a rechargeable Zn–air battery, a power density of 284.5 mW cm−2 was achieved with excellent ...
Yongfang Zhou   +8 more
wiley   +1 more source

Generating Cell Surface Nucleated Hydrogels with an Artificial Membrane‐Binding Transglutaminase

open access: yesAdvanced Functional Materials, EarlyView.
Cell‐based therapies require advanced strategies to enhance cell delivery and bioactivity. Cell membrane engineering offers an avenue to impart new functions to delivered cells to boost their viability and function. Here, an artificial membrane‐binding transglutaminase is generated and biophysically characterized.
Rosalia Cuahtecontzi Delint   +6 more
wiley   +1 more source

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